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3-(3-methoxyphenyl)-1-phenylprop-2-yn-1-one
SpectraBase Compound ID CXdAL2PrsD1
InChI InChI=1S/C16H12O2/c1-18-15-9-5-6-13(12-15)10-11-16(17)14-7-3-2-4-8-14/h2-9,12H,1H3
InChIKey GXBQLTUBUNLAPB-UHFFFAOYSA-N
Mol Weight 236.27 g/mol
Molecular Formula C16H12O2
Exact Mass 236.08373 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 101znnSS3Rs
Name 3-(3-methoxyphenyl)-1-phenylprop-2-yn-1-one
Appearance Light white solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 236.083729624 u
Formula C16H12O2
GC Oven Program Oven temp 290 oC or 320 oC
InChI InChI=1S/C16H12O2/c1-18-15-9-5-6-13(12-15)10-11-16(17)14-7-3-2-4-8-14/h2-9,12H,1H3
InChIKey GXBQLTUBUNLAPB-UHFFFAOYSA-N
Instrument Name Agilent Technologies 7890A-5975C VL/5975 GC
Ionization Type EI
Literature Reference DOI 10.1002/anie.201708037
Molecular Weight 236.270 g/mol
Quality 345
SMILES C1=CC(=CC=C1)C(=O)C#CC1=CC(=CC=C1)OC
SPLASH splash10-0a4r-3890000000-87a1497d591455978e28
Source of Spectrum ACI-56-SM16-21 (DOI: 10.1002/anie.201708037)
Wiley ID 1896508